CONFLIST FAL        FALBK FAL01 FAL-1 

NATOM    FALBK      0
NATOM    FAL01      47
NATOM    FAL-1      46

IATOM    FAL01  C11 0
IATOM    FAL01  O11 1
IATOM    FAL01  C12 2
IATOM    FAL01  C13 3
IATOM    FAL01  C14 4
IATOM    FAL01  C15 5
IATOM    FAL01  C16 6
IATOM    FAL01  C17 7
IATOM    FAL01  C18 8
IATOM    FAL01  C19 9
IATOM    FAL01  C20 10
IATOM    FAL01  C21 11
IATOM    FAL01  C22 12
IATOM    FAL01  C23 13
IATOM    FAL01  C24 14
IATOM    FAL01  C25 15
IATOM    FAL01  C26 16
IATOM    FAL01  C27 17
IATOM    FAL01  H11 18
IATOM    FAL01  HO1 19
IATOM    FAL01 1H12 20
IATOM    FAL01 2H12 21
IATOM    FAL01 1H13 22
IATOM    FAL01 2H13 23
IATOM    FAL01  H14 24
IATOM    FAL01 1H16 25
IATOM    FAL01 2H16 26
IATOM    FAL01 1H17 27
IATOM    FAL01 2H17 28
IATOM    FAL01  H18 29
IATOM    FAL01 1H20 30
IATOM    FAL01 2H20 31
IATOM    FAL01 1H21 32
IATOM    FAL01 2H21 33
IATOM    FAL01  H22 34
IATOM    FAL01 1H24 35
IATOM    FAL01 2H24 36
IATOM    FAL01 3H24 37
IATOM    FAL01 1H25 38
IATOM    FAL01 2H25 39
IATOM    FAL01 3H25 40
IATOM    FAL01 1H26 41
IATOM    FAL01 2H26 42
IATOM    FAL01 3H26 43
IATOM    FAL01 1H27 44
IATOM    FAL01 2H27 45
IATOM    FAL01 3H27 46
IATOM    FAL-1  C11 0
IATOM    FAL-1  O11 1
IATOM    FAL-1  C12 2
IATOM    FAL-1  C13 3
IATOM    FAL-1  C14 4
IATOM    FAL-1  C15 5
IATOM    FAL-1  C16 6
IATOM    FAL-1  C17 7
IATOM    FAL-1  C18 8
IATOM    FAL-1  C19 9
IATOM    FAL-1  C20 10
IATOM    FAL-1  C21 11
IATOM    FAL-1  C22 12
IATOM    FAL-1  C23 13
IATOM    FAL-1  C24 14
IATOM    FAL-1  C25 15
IATOM    FAL-1  C26 16
IATOM    FAL-1  C27 17
IATOM    FAL-1  H11 18
IATOM    FAL-1 1H12 19
IATOM    FAL-1 2H12 20
IATOM    FAL-1 1H13 21
IATOM    FAL-1 2H13 22
IATOM    FAL-1  H14 23
IATOM    FAL-1 1H16 24
IATOM    FAL-1 2H16 25
IATOM    FAL-1 1H17 26
IATOM    FAL-1 2H17 27
IATOM    FAL-1  H18 28
IATOM    FAL-1 1H20 29
IATOM    FAL-1 2H20 30
IATOM    FAL-1 1H21 31
IATOM    FAL-1 2H21 32
IATOM    FAL-1  H22 33
IATOM    FAL-1 1H24 34
IATOM    FAL-1 2H24 35
IATOM    FAL-1 3H24 36
IATOM    FAL-1 1H25 37
IATOM    FAL-1 2H25 38
IATOM    FAL-1 3H25 39
IATOM    FAL-1 1H26 40
IATOM    FAL-1 2H26 41
IATOM    FAL-1 3H26 42
IATOM    FAL-1 1H27 43
IATOM    FAL-1 2H27 44
IATOM    FAL-1 3H27 45

ATOMNAME FAL01    0  C11
ATOMNAME FAL01    1  O11
ATOMNAME FAL01    2  C12
ATOMNAME FAL01    3  C13
ATOMNAME FAL01    4  C14
ATOMNAME FAL01    5  C15
ATOMNAME FAL01    6  C16
ATOMNAME FAL01    7  C17
ATOMNAME FAL01    8  C18
ATOMNAME FAL01    9  C19
ATOMNAME FAL01   10  C20
ATOMNAME FAL01   11  C21
ATOMNAME FAL01   12  C22
ATOMNAME FAL01   13  C23
ATOMNAME FAL01   14  C24
ATOMNAME FAL01   15  C25
ATOMNAME FAL01   16  C26
ATOMNAME FAL01   17  C27
ATOMNAME FAL01   18  H11
ATOMNAME FAL01   19  HO1
ATOMNAME FAL01   20 1H12
ATOMNAME FAL01   21 2H12
ATOMNAME FAL01   22 1H13
ATOMNAME FAL01   23 2H13
ATOMNAME FAL01   24  H14
ATOMNAME FAL01   25 1H16
ATOMNAME FAL01   26 2H16
ATOMNAME FAL01   27 1H17
ATOMNAME FAL01   28 2H17
ATOMNAME FAL01   29  H18
ATOMNAME FAL01   30 1H20
ATOMNAME FAL01   31 2H20
ATOMNAME FAL01   32 1H21
ATOMNAME FAL01   33 2H21
ATOMNAME FAL01   34  H22
ATOMNAME FAL01   35 1H24
ATOMNAME FAL01   36 2H24
ATOMNAME FAL01   37 3H24
ATOMNAME FAL01   38 1H25
ATOMNAME FAL01   39 2H25
ATOMNAME FAL01   40 3H25
ATOMNAME FAL01   41 1H26
ATOMNAME FAL01   42 2H26
ATOMNAME FAL01   43 3H26
ATOMNAME FAL01   44 1H27
ATOMNAME FAL01   45 2H27
ATOMNAME FAL01   46 3H27
ATOMNAME FAL-1    0  C11
ATOMNAME FAL-1    1  O11
ATOMNAME FAL-1    2  C12
ATOMNAME FAL-1    3  C13
ATOMNAME FAL-1    4  C14
ATOMNAME FAL-1    5  C15
ATOMNAME FAL-1    6  C16
ATOMNAME FAL-1    7  C17
ATOMNAME FAL-1    8  C18
ATOMNAME FAL-1    9  C19
ATOMNAME FAL-1   10  C20
ATOMNAME FAL-1   11  C21
ATOMNAME FAL-1   12  C22
ATOMNAME FAL-1   13  C23
ATOMNAME FAL-1   14  C24
ATOMNAME FAL-1   15  C25
ATOMNAME FAL-1   16  C26
ATOMNAME FAL-1   17  C27
ATOMNAME FAL-1   18  H11
ATOMNAME FAL-1   19 1H12
ATOMNAME FAL-1   20 2H12
ATOMNAME FAL-1   21 1H13
ATOMNAME FAL-1   22 2H13
ATOMNAME FAL-1   23  H14
ATOMNAME FAL-1   24 1H16
ATOMNAME FAL-1   25 2H16
ATOMNAME FAL-1   26 1H17
ATOMNAME FAL-1   27 2H17
ATOMNAME FAL-1   28  H18
ATOMNAME FAL-1   29 1H20
ATOMNAME FAL-1   30 2H20
ATOMNAME FAL-1   31 1H21
ATOMNAME FAL-1   32 2H21
ATOMNAME FAL-1   33  H22
ATOMNAME FAL-1   34 1H24
ATOMNAME FAL-1   35 2H24
ATOMNAME FAL-1   36 3H24
ATOMNAME FAL-1   37 1H25
ATOMNAME FAL-1   38 2H25
ATOMNAME FAL-1   39 3H25
ATOMNAME FAL-1   40 1H26
ATOMNAME FAL-1   41 2H26
ATOMNAME FAL-1   42 3H26
ATOMNAME FAL-1   43 1H27
ATOMNAME FAL-1   44 2H27
ATOMNAME FAL-1   45 3H27



#1.Basic Conformer Information: name, pka, em, rxn.

#23456789A123456789B123456789C
PROTON   FAL01      0 
PKA      FAL01      0.0
ELECTRON FAL01      0 
EM       FAL01      0.0
RXN      FAL01      0.0

PROTON   FAL-1      0  
PKA      FAL-1      0.0
ELECTRON FAL-1      0 
EM       FAL-1      0.0
RXN      FAL-1      0.0

#2.Structure Connectivity

#23456789A123456789B123456789C123456789D123456789E123456789F123456789G
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  FAL01  C11 sp3       -3    C3B 0     O11 0     C12 0     H11 
CONNECT  FAL01  O11 sp3       0     C11 0     HO1 
CONNECT  FAL01  C12 sp3       0     C11 0     C13 0    1H12 0    2H12 
CONNECT  FAL01  C13 sp3       0     C12 0     C14 0    1H13 0    2H13 
CONNECT  FAL01  C14 sp2       0     C13 0     C15 0     H14 
CONNECT  FAL01  C15 sp2       0     C14 0     C16 0     C26 
CONNECT  FAL01  C16 sp3       0     C15 0     C17 0    1H16 0    2H16 
CONNECT  FAL01  C17 sp3       0     C16 0     C18 0    1H17 0    2H17 
CONNECT  FAL01  C18 sp2       0     C17 0     C19 0     H18 
CONNECT  FAL01  C19 sp2       0     C18 0     C20 0     C27 
CONNECT  FAL01  C20 sp3       0     C19 0     C21 0    1H20 0    2H20 
CONNECT  FAL01  C21 sp3       0     C20 0     C22 0    1H21 0    2H21 
CONNECT  FAL01  C22 sp2       0     C21 0     C23 0     H22 
CONNECT  FAL01  C23 sp2       0     C22 0     C24 0     C25 
CONNECT  FAL01  C24 sp3       0     C23 0    1H24 0    2H24 0    3H24 
CONNECT  FAL01  C25 sp3       0     C23 0    1H25 0    2H25 0    3H25 
CONNECT  FAL01  C26 sp3       0     C15 0    1H26 0    2H26 0    3H26 
CONNECT  FAL01  C27 sp3       0     C19 0    1H27 0    2H27 0    3H27 
CONNECT  FAL01  H11 s         0     C11 
CONNECT  FAL01  HO1 s         0     O11 
CONNECT  FAL01 1H12 s         0     C12 
CONNECT  FAL01 2H12 s         0     C12 
CONNECT  FAL01 1H13 s         0     C13 
CONNECT  FAL01 2H13 s         0     C13 
CONNECT  FAL01  H14 s         0     C14 
CONNECT  FAL01 1H16 s         0     C16 
CONNECT  FAL01 2H16 s         0     C16 
CONNECT  FAL01 1H17 s         0     C17 
CONNECT  FAL01 2H17 s         0     C17 
CONNECT  FAL01  H18 s         0     C18 
CONNECT  FAL01 1H20 s         0     C20 
CONNECT  FAL01 2H20 s         0     C20 
CONNECT  FAL01 1H21 s         0     C21 
CONNECT  FAL01 2H21 s         0     C21 
CONNECT  FAL01  H22 s         0     C22 
CONNECT  FAL01 1H24 s         0     C24 
CONNECT  FAL01 2H24 s         0     C24 
CONNECT  FAL01 3H24 s         0     C24 
CONNECT  FAL01 1H25 s         0     C25 
CONNECT  FAL01 2H25 s         0     C25 
CONNECT  FAL01 3H25 s         0     C25 
CONNECT  FAL01 1H26 s         0     C26 
CONNECT  FAL01 2H26 s         0     C26 
CONNECT  FAL01 3H26 s         0     C26 
CONNECT  FAL01 1H27 s         0     C27 
CONNECT  FAL01 2H27 s         0     C27 
CONNECT  FAL01 3H27 s         0     C27 

CONNECT  FAL-1  C11 sp3       -3    C3B 0     O11 0     C12 0     H11
CONNECT  FAL-1  O11 sp3       0     C11 
CONNECT  FAL-1  C12 sp3       0     C11 0     C13 0    1H12 0    2H12
CONNECT  FAL-1  C13 sp3       0     C12 0     C14 0    1H13 0    2H13
CONNECT  FAL-1  C14 sp2       0     C13 0     C15 0     H14
CONNECT  FAL-1  C15 sp2       0     C14 0     C16 0     C26
CONNECT  FAL-1  C16 sp3       0     C15 0     C17 0    1H16 0    2H16
CONNECT  FAL-1  C17 sp3       0     C16 0     C18 0    1H17 0    2H17
CONNECT  FAL-1  C18 sp2       0     C17 0     C19 0     H18
CONNECT  FAL-1  C19 sp2       0     C18 0     C20 0     C27
CONNECT  FAL-1  C20 sp3       0     C19 0     C21 0    1H20 0    2H20
CONNECT  FAL-1  C21 sp3       0     C20 0     C22 0    1H21 0    2H21
CONNECT  FAL-1  C22 sp2       0     C21 0     C23 0     H22
CONNECT  FAL-1  C23 sp2       0     C22 0     C24 0     C25
CONNECT  FAL-1  C24 sp3       0     C23 0    1H24 0    2H24 0    3H24
CONNECT  FAL-1  C25 sp3       0     C23 0    1H25 0    2H25 0    3H25
CONNECT  FAL-1  C26 sp3       0     C15 0    1H26 0    2H26 0    3H26
CONNECT  FAL-1  C27 sp3       0     C19 0    1H27 0    2H27 0    3H27
CONNECT  FAL-1  H11 s         0     C11
CONNECT  FAL-1 1H12 s         0     C12
CONNECT  FAL-1 2H12 s         0     C12
CONNECT  FAL-1 1H13 s         0     C13
CONNECT  FAL-1 2H13 s         0     C13
CONNECT  FAL-1  H14 s         0     C14
CONNECT  FAL-1 1H16 s         0     C16
CONNECT  FAL-1 2H16 s         0     C16
CONNECT  FAL-1 1H17 s         0     C17
CONNECT  FAL-1 2H17 s         0     C17
CONNECT  FAL-1  H18 s         0     C18
CONNECT  FAL-1 1H20 s         0     C20
CONNECT  FAL-1 2H20 s         0     C20
CONNECT  FAL-1 1H21 s         0     C21
CONNECT  FAL-1 2H21 s         0     C21
CONNECT  FAL-1  H22 s         0     C22
CONNECT  FAL-1 1H24 s         0     C24
CONNECT  FAL-1 2H24 s         0     C24
CONNECT  FAL-1 3H24 s         0     C24
CONNECT  FAL-1 1H25 s         0     C25
CONNECT  FAL-1 2H25 s         0     C25
CONNECT  FAL-1 3H25 s         0     C25
CONNECT  FAL-1 1H26 s         0     C26
CONNECT  FAL-1 2H26 s         0     C26
CONNECT  FAL-1 3H26 s         0     C26
CONNECT  FAL-1 1H27 s         0     C27
CONNECT  FAL-1 2H27 s         0     C27
CONNECT  FAL-1 3H27 s         0     C27

#3.Atom Parameters: Partial Charges and Radii
# Radii(vdw) were collected from http://www.webelements.com/
RADIUS   FAL    C11 1.70
RADIUS   FAL    O11 1.52
RADIUS   FAL    C12 1.70
RADIUS   FAL    C13 1.70
RADIUS   FAL    C14 1.70
RADIUS   FAL    C15 1.70
RADIUS   FAL    C16 1.70
RADIUS   FAL    C17 1.70
RADIUS   FAL    C18 1.70 
RADIUS   FAL    C19 1.70
RADIUS   FAL    C20 1.70
RADIUS   FAL    C21 1.70
RADIUS   FAL    C22 1.70
RADIUS   FAL    C23 1.70
RADIUS   FAL    C24 1.70
RADIUS   FAL    C25 1.70
RADIUS   FAL    C26 1.70
RADIUS   FAL    C27 1.70
RADIUS   FAL    H11 1.20
RADIUS   FAL    HO1 1.20
RADIUS   FAL   1H12 1.20
RADIUS   FAL   2H12 1.20
RADIUS   FAL   1H13 1.20
RADIUS   FAL   2H13 1.20
RADIUS   FAL    H14 1.20
RADIUS   FAL   1H16 1.20
RADIUS   FAL   2H16 1.20
RADIUS   FAL   1H17 1.20
RADIUS   FAL   2H17 1.20
RADIUS   FAL    H18 1.20
RADIUS   FAL   1H20 1.20
RADIUS   FAL   2H20 1.20
RADIUS   FAL   1H21 1.20
RADIUS   FAL   2H21 1.20
RADIUS   FAL    H22 1.20
RADIUS   FAL   1H24 1.20
RADIUS   FAL   2H24 1.20
RADIUS   FAL   3H24 1.20
RADIUS   FAL   1H25 1.20
RADIUS   FAL   2H25 1.20
RADIUS   FAL   3H25 1.20
RADIUS   FAL   1H26 1.20
RADIUS   FAL   2H26 1.20
RADIUS   FAL   3H26 1.20
RADIUS   FAL   1H27 1.20
RADIUS   FAL   2H27 1.20
RADIUS   FAL   3H27 1.20

CHARGE   FAL01  C11  
CHARGE   FAL01  O11  
CHARGE   FAL01  C12  
CHARGE   FAL01  C13  
CHARGE   FAL01  C14  
CHARGE   FAL01  C15  
CHARGE   FAL01  C16  
CHARGE   FAL01  C17  
CHARGE   FAL01  C18  
CHARGE   FAL01  C19  
CHARGE   FAL01  C20  
CHARGE   FAL01  C21  
CHARGE   FAL01  C22  
CHARGE   FAL01  C23  
CHARGE   FAL01  C24  
CHARGE   FAL01  C25  
CHARGE   FAL01  C26  
CHARGE   FAL01  C27  
CHARGE   FAL01  H11  
CHARGE   FAL01  HO1  
CHARGE   FAL01 1H12  
CHARGE   FAL01 2H12  
CHARGE   FAL01 1H13  
CHARGE   FAL01 2H13  
CHARGE   FAL01  H14  
CHARGE   FAL01 1H16  
CHARGE   FAL01 2H16  
CHARGE   FAL01 1H17  
CHARGE   FAL01 2H17  
CHARGE   FAL01  H18  
CHARGE   FAL01 1H20  
CHARGE   FAL01 2H20  
CHARGE   FAL01 1H21  
CHARGE   FAL01 2H21  
CHARGE   FAL01  H22  
CHARGE   FAL01 1H24  
CHARGE   FAL01 2H24  
CHARGE   FAL01 3H24  
CHARGE   FAL01 1H25  
CHARGE   FAL01 2H25  
CHARGE   FAL01 3H25  
CHARGE   FAL01 1H26  
CHARGE   FAL01 2H26  
CHARGE   FAL01 3H26  
CHARGE   FAL01 1H27  
CHARGE   FAL01 2H27  
CHARGE   FAL01 3H27  

CHARGE   FAL-1  C11
CHARGE   FAL-1  O11
CHARGE   FAL-1  C12
CHARGE   FAL-1  C13
CHARGE   FAL-1  C14
CHARGE   FAL-1  C15
CHARGE   FAL-1  C16
CHARGE   FAL-1  C17
CHARGE   FAL-1  C18
CHARGE   FAL-1  C19
CHARGE   FAL-1  C20
CHARGE   FAL-1  C21
CHARGE   FAL-1  C22
CHARGE   FAL-1  C23
CHARGE   FAL-1  C24
CHARGE   FAL-1  C25
CHARGE   FAL-1  C26
CHARGE   FAL-1  C27
CHARGE   FAL-1  H11
CHARGE   FAL-1  HO1
CHARGE   FAL-1 1H12
CHARGE   FAL-1 2H12
CHARGE   FAL-1 1H13
CHARGE   FAL-1 2H13
CHARGE   FAL-1  H14
CHARGE   FAL-1 1H16
CHARGE   FAL-1 2H16
CHARGE   FAL-1 1H17
CHARGE   FAL-1 2H17
CHARGE   FAL-1  H18
CHARGE   FAL-1 1H20
CHARGE   FAL-1 2H20
CHARGE   FAL-1 1H21
CHARGE   FAL-1 2H21
CHARGE   FAL-1  H22
CHARGE   FAL-1 1H24
CHARGE   FAL-1 2H24
CHARGE   FAL-1 3H24
CHARGE   FAL-1 1H25
CHARGE   FAL-1 2H25
CHARGE   FAL-1 3H25
CHARGE   FAL-1 1H26
CHARGE   FAL-1 2H26
CHARGE   FAL-1 3H26
CHARGE   FAL-1 1H27
CHARGE   FAL-1 2H27
CHARGE   FAL-1 3H27

